SCHEMBL1801302

SCHEMBL1801302

O=C(c1ccc(Cl)cc1)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
CCR8 P51685 2/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46
CXCR3 P49682 1/20 0.46
PKLR P30613 1/20 0.43
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2937853 1.00 RIPK1 (0.47) RIPK1CCR8KCNH2ALDH1A1LMNA
SCHEMBL4000263 1.00 RIPK1 (0.47) RIPK1CCR8KCNH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1800383 0.99 RIPK1 (0.47) RIPK1CCR8KCNH2ALDH1A1LMNA
SCHEMBL2937011 0.94 CXCR3 (0.46) RIPK1CCR8KCNH2ALDH1A1LMNA
SCHEMBL2934126 0.94 CXCR3 (0.46) RIPK1CCR8KCNH2ALDH1A1LMNA
SCHEMBL1800862 0.94 CXCR3 (0.46) RIPK1CCR8KCNH2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1801174 0.94 CXCR3 (0.45) RIPK1CCR8KCNH2ALDH1A1LMNA
SCHEMBL2933989 0.92 CYP2D6 (0.54) CCR8KCNH2ALDH1A1CXCR3MGLL
SCHEMBL1801247 0.92 CYP2D6 (0.54) CCR8KCNH2ALDH1A1CXCR3MGLL
SCHEMBL2933986 0.92 CYP2D6 (0.54) CCR8KCNH2ALDH1A1CXCR3MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 RIPK1 3818/4885CCR8 1765/4885KCNH2 4107/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.